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cp2k/tools/maple2f90/maple2f90.py

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#!/usr/bin/env python3
import re
import sys
"""Script to help the conversion of maple generated fortran code to f90"""
renamedVar = [
"cg",
"cg0",
"cg1",
"cg10",
"cg11",
"cg12",
"cg13",
"cg14",
"cg15",
"cg16",
"cg17",
"cg18",
"cg19",
"cg2",
"cg20",
"cg21",
"cg22",
"cg23",
"cg24",
"cg25",
"cg26",
"cg27",
"cg28",
"cg29",
"cg3",
"cg30",
"cg31",
"cg32",
"cg33",
"cg34",
"cg35",
"cg36",
"cg37",
"cg38",
"cg39",
"cg4",
"cg40",
"cg41",
"cg42",
"cg43",
"cg44",
"cg45",
"cg46",
"cg47",
"cg48",
"cg49",
"cg5",
"cg50",
"cg51",
"cg52",
"cg53",
"cg54",
"cg55",
"cg56",
"cg57",
"cg58",
"cg59",
"cg6",
"cg60",
"cg61",
"cg62",
"cg63",
"cg64",
"cg65",
"cg66",
"cg67",
"cg68",
"cg69",
"cg7",
"cg70",
"cg71",
"cg72",
"cg73",
"cg74",
"cg75",
"cg76",
"cg77",
"cg78",
"cg79",
"cg8",
"cg80",
"cg81",
"cg82",
"cg83",
"cg84",
"cg85",
"cg86",
"cg87",
"cg88",
"cg89",
"cg9",
"cg90",
"cg91",
"cg92",
"cg93",
"cg94",
]
origNames = [
"norm_drho",
"norm_drhoa",
"norm_drhob",
"chirhoa",
"epsilon_c_unifrhoarhob",
"e_c_u_01rhob",
"epsilon_c_unif1rhob",
"alpha_c1rhoa",
"k_frhoarhob",
"chirhobrhob",
"phi1rhob",
"phirhoa",
"kf_b",
"kf_brhob",
"Fx_b",
"e_c_u_01rhoa",
"frhoarhob",
"chirhoarhob",
"chirhob",
"Fx_a",
"ex_unif_a1rhoa",
"e_c_u_1rhoa",
"epsilon_cGGArhob",
"epsilon_c_unifrhob",
"k_frhoa",
"phirhoarhoa",
"trhobrhob",
"ex_unif_b",
"Arhoarhob",
"k_s1rhoa",
"gamma_var",
"k_frhob",
"epsilon_cGGA",
"phirhob",
"Fx_bnorm_drhob",
"s_anorm_drhoa",
"epsilon_cGGArhoa",
"Arhobrhob",
"Fx_brhob",
"k_s1rhob",
"s_arhoa",
"rsrhoarhoa",
"epsilon_c_unif",
"kf_arhoarhoa",
"Hnorm_drho",
"trhoarhoa",
"Fx_anorm_drhoa",
"alpha_crhob",
"e_c_u_0rhob",
"s_a1rhoa",
"k_s",
"kf_a",
"k_srhoa",
"rsrhoarhob",
"rsrhobrhob",
"s_a",
"epsilon_c_unifrhoa",
"e_c_u_0rhoa",
"phi1rhoa",
"trhoarhob",
"alpha_c",
"frhoarhoa",
"trhobnorm_drho",
"Fx_a1rhoa",
"e_c_u_0rhobrhob",
"Arhoarhoa",
"phirhoarhob",
"ex_unif_brhob",
"kf_arhoa",
"frhobrhob",
"phirhobrhob",
"Fx_arhoa",
"e_c_u_0rhoarhob",
"s_bnorm_drhob",
"epsilon_c_unifrhoarhoa",
"epsilon_c_unif1rhoa",
"e_c_u_0rhoarhoa",
"ex_unif_arhoa",
"epsilon_c_unifrhobrhob",
"s_brhob",
"k_srhob",
"ex_unif_a",
"chirhoarhoa",
"e_c_u_1rhob",
"s_b",
"alpha_c1rhob",
"tnorm_drho",
"k_frhoarhoa",
"s_b1rhob",
"kf_brhobrhob",
"e_c_u_0",
"ex_unif_b1rhob",
"trhoanorm_drho",
"Fx_b1rhob",
"alpha_crhoa",
"r_eqs_lsd4",
]
code = """
doubleprecision function cg94 (rhoa, rhob, cg, cg0, cg1)
my_rhoa = rhoa
my_rhob = rhob
my_norm_drho = cg
my_norm_drhoa = cg0
my_norm_drhob = cg1
rho = rhoa + rhob
t1 = rhoa - rhob
t2 = 0.1D1 / rho
chi = t1 * t2
t3 = 3 ** (0.1D1 / 0.3D1)
t4 = 4 ** (0.1D1 / 0.3D1)
t5 = t4 ** 2
t6 = t3 * t5
t7 = 0.1D1 / 0.3141592654D1
t8 = t7 * t2
t9 = t8 ** (0.1D1 / 0.3D1)
rs = dble(t6) * t9 / 0.4D1
t12 = 0.1D1 + 0.21370D0 * rs
t13 = sqrt(rs)
t16 = t13 * rs
t18 = rs ** 0.20D1
t20 = 0.75957D1 * t13 + 0.35876D1 * rs + 0.16382D1 * t16 + 0.492
#94D0 * t18
t23 = 0.1D1 + 0.1608182432D2 / t20
t24 = log(t23)
cg9 = -0.62182D-1 * t12 * t24
t28 = 0.1D1 + 0.20548D0 * rs
t33 = 0.141189D2 * t13 + 0.61977D1 * rs + 0.33662D1 * t16 + 0.62
#517D0 * t18
t36 = 0.1D1 + 0.3216468318D2 / t33
t37 = log(t36)
t41 = 0.1D1 + 0.11125D0 * rs
t46 = 0.10357D2 * t13 + 0.36231D1 * rs + 0.88026D0 * t16 + 0.496
#71D0 * t18
t49 = 0.1D1 + 0.2960857464D1 / t46
t50 = log(t49)
cg62 = 0.33774D0 * t41 * t50
t52 = 2 ** (0.1D1 / 0.3D1)
t55 = 1 / (2 * t52 - 2)
t56 = 0.1D1 + chi
t57 = t56 ** (0.1D1 / 0.3D1)
t58 = t57 * t56
t59 = 0.1D1 - chi
t60 = t59 ** (0.1D1 / 0.3D1)
t61 = t60 * t59
f = (t58 + t61 - 0.2D1) * dble(t55)
t63 = cg62 * f
t64 = 0.9D1 / 0.8D1 / dble(t55)
t65 = chi ** 2
t66 = t65 ** 2
t68 = t64 * (0.1D1 - t66)
t70 = -0.31090D-1 * t28 * t37 - cg9
t71 = t70 * f
cg46 = cg9 + t63 * t68 + t71 * t66
t73 = log(0.2D1)
t75 = 0.3141592654D1 ** 2
t76 = 0.1D1 / t75
cg35 = (0.1D1 - t73) * t76
t77 = t57 ** 2
t78 = t60 ** 2
phi = t77 / 0.2D1 + t78 / 0.2D1
t80 = t75 * rho
t81 = t80 ** (0.1D1 / 0.3D1)
t82 = dble(t3) * t81 * t7
t83 = sqrt(t82)
cg53 = 0.2D1 * t83
t84 = 0.1D1 / phi
t85 = cg * t84
t86 = 0.1D1 / cg53
t87 = t86 * t2
t = t85 * t87 / 0.2D1
t89 = 0.1D1 / cg35
t90 = cg46 * t89
t91 = phi ** 2
t92 = t91 * phi
t93 = 0.1D1 / t92
t95 = exp(-t90 * t93)
t96 = t95 - 0.1D1
A = 0.66725D-1 * t89 / t96
t99 = cg35 * t92
t100 = t ** 2
t101 = t89 * t100
t102 = A * t100
t103 = 0.1D1 + t102
t104 = A ** 2
t105 = t100 ** 2
t107 = 0.1D1 + t102 + t104 * t105
t108 = 0.1D1 / t107
t109 = t103 * t108
t112 = 0.1D1 + 0.66725D-1 * t101 * t109
t113 = log(t112)
cg37 = cg46 + t99 * t113
mu = 0.2224166667D-1 * t75
t114 = t3 * t52
t115 = t75 * rhoa
t116 = t115 ** (0.1D1 / 0.3D1)
cg54 = dble(t114) * t116
cg81 = -0.3D1 / 0.4D1 * t7 * cg54
t119 = 0.1D1 / cg54
t120 = cg0 * t119
t121 = 0.1D1 / rhoa
cg58 = t120 * t121 / 0.2D1
t123 = cg58 ** 2
t126 = 0.1D1 + 0.1243781095D1 * mu * t123
cg25 = 0.1804D1 - 0.804D0 / t126
t129 = rhoa * cg81
t131 = t75 * rhob
t132 = t131 ** (0.1D1 / 0.3D1)
cg19 = dble(t114) * t132
cg32 = -0.3D1 / 0.4D1 * t7 * cg19
t135 = 0.1D1 / cg19
t136 = cg1 * t135
t137 = 0.1D1 / rhob
cg84 = t136 * t137 / 0.2D1
t139 = cg84 ** 2
t142 = 0.1D1 + 0.1243781095D1 * mu * t139
cg20 = 0.1804D1 - 0.804D0 / t142
t145 = rhob * cg32
exc = t129 * cg25 + t145 * cg20 + rho * cg37
t149 = rho ** 2
t150 = 0.1D1 / t149
t151 = t1 * t150
cg10 = t2 - t151
t152 = t9 ** 2
t154 = 0.1D1 / t152 * t7
rsrhoa = -dble(t6) * t154 * t150 / 0.12D2
t160 = t20 ** 2
t161 = 0.1D1 / t160
t162 = t12 * t161
t163 = 0.1D1 / t13
t164 = t163 * rsrhoa
t167 = t13 * rsrhoa
t169 = rs ** 0.10D1
t170 = t169 * rsrhoa
t172 = 0.3797850000D1 * t164 + 0.35876D1 * rsrhoa + 0.2457300000
#D1 * t167 + 0.985880D0 * t170
t173 = 0.1D1 / t23
t174 = t172 * t173
cg6 = -0.1328829340D-1 * rsrhoa * t24 + 0.9999999999D0 * t162 *
#t174
t179 = t33 ** 2
t180 = 0.1D1 / t179
t181 = t28 * t180
t186 = 0.7059450000D1 * t164 + 0.61977D1 * rsrhoa + 0.5049300000
#D1 * t167 + 0.1250340D1 * t170
t187 = 0.1D1 / t36
t188 = t186 * t187
cg27 = -0.638837320D-2 * rsrhoa * t37 + 0.1000000000D1 * t181 *
#t188
t193 = t46 ** 2
t194 = 0.1D1 / t193
t195 = t41 * t194
t200 = 0.5178500000D1 * t164 + 0.36231D1 * rsrhoa + 0.1320390000
#D1 * t167 + 0.993420D0 * t170
t201 = 0.1D1 / t49
t202 = t200 * t201
cg93 = 0.375735750D-1 * rsrhoa * t50 - 0.9999999999D0 * t195 * t
#202
frhoa = (0.4D1 / 0.3D1 * t57 * cg10 - 0.4D1 / 0.3D1 * t60 * cg10
#) * dble(t55)
t209 = cg93 * f
t211 = cg62 * frhoa
t213 = t65 * chi
t214 = t64 * t213
t215 = t214 * cg10
t217 = 0.4D1 * t63 * t215
t218 = cg27 - cg6
t219 = t218 * f
t221 = t70 * frhoa
t223 = t213 * cg10
t225 = 0.4D1 * t71 * t223
cg59 = cg6 + t209 * t68 + t211 * t68 - t217 + t219 * t66 + t221
#* t66 + t225
t226 = 0.1D1 / t57
t228 = 0.1D1 / t60
cg18 = t226 * cg10 / 0.3D1 - t228 * cg10 / 0.3D1
t231 = t81 ** 2
cg3 = dble(t3) / t231 * t75 / 0.3D1
t235 = 0.1D1 / t83
cg55 = t235 * cg3 * t7
t237 = 0.1D1 / t91
t238 = cg * t237
t241 = cg53 ** 2
t242 = 0.1D1 / t241
t243 = t242 * t2
t246 = t86 * t150
t247 = t85 * t246
trhoa = -t238 * t87 * cg18 / 0.2D1 - t85 * t243 * cg55 / 0.2D1 -
# t247 / 0.2D1
t249 = t96 ** 2
t251 = t89 / t249
t252 = cg59 * t89
t254 = t91 ** 2
t255 = 0.1D1 / t254
t256 = t255 * cg18
t259 = -t252 * t93 + 0.3D1 * t90 * t256
Arhoa = -0.66725D-1 * t251 * t259 * t95
t263 = cg35 * t91
t264 = t113 * cg18
t267 = t89 * t
t268 = t109 * trhoa
t271 = Arhoa * t100
t272 = A * t
t274 = 0.2D1 * t272 * trhoa
t275 = t271 + t274
t276 = t275 * t108
t279 = t107 ** 2
t280 = 0.1D1 / t279
t281 = t103 * t280
t282 = A * t105
t285 = t100 * t
t286 = t104 * t285
t289 = t271 + t274 + 0.2D1 * t282 * Arhoa + 0.4D1 * t286 * trhoa
t293 = 0.133450D0 * t267 * t268 + 0.66725D-1 * t101 * t276 - 0.6
#6725D-1 * t101 * t281 * t289
t294 = 0.1D1 / t112
t295 = t293 * t294
cg40 = cg59 + 0.3D1 * t263 * t264 + t99 * t295
t298 = t116 ** 2
cg7 = dble(t114) / t298 * t75 / 0.3D1
cg78 = -0.3D1 / 0.4D1 * t7 * cg7
t304 = cg54 ** 2
t305 = 0.1D1 / t304
t306 = cg0 * t305
t309 = rhoa ** 2
t310 = 0.1D1 / t309
cg44 = -t306 * t121 * cg7 / 0.2D1 - t120 * t310 / 0.2D1
t313 = t126 ** 2
t315 = 0.1D1 / t313 * mu
cg72 = 0.2000000001D1 * t315 * cg58 * cg44
t319 = rhoa * cg78
exc_rhoa = cg81 * cg25 + t319 * cg25 + t129 * cg72 + cg37 + rho
#* cg40
cg24 = -t2 - t151
rsrhob = rsrhoa
t326 = t163 * rsrhob
t329 = t13 * rsrhob
t331 = t169 * rsrhob
t333 = 0.3797850000D1 * t326 + 0.35876D1 * rsrhob + 0.2457300000
#D1 * t329 + 0.985880D0 * t331
t334 = t333 * t173
cg51 = -0.1328829340D-1 * rsrhob * t24 + 0.9999999999D0 * t162 *
# t334
t343 = 0.7059450000D1 * t326 + 0.61977D1 * rsrhob + 0.5049300000
#D1 * t329 + 0.1250340D1 * t331
t344 = t343 * t187
cg83 = -0.638837320D-2 * rsrhob * t37 + 0.1000000000D1 * t181 *
#t344
t353 = 0.5178500000D1 * t326 + 0.36231D1 * rsrhob + 0.1320390000
#D1 * t329 + 0.993420D0 * t331
t354 = t353 * t201
cg50 = 0.375735750D-1 * rsrhob * t50 - 0.9999999999D0 * t195 * t
#354
frhob = (0.4D1 / 0.3D1 * t57 * cg24 - 0.4D1 / 0.3D1 * t60 * cg24
#) * dble(t55)
t361 = cg50 * f
t363 = cg62 * frhob
t365 = t214 * cg24
t367 = 0.4D1 * t63 * t365
t368 = cg83 - cg51
t369 = t368 * f
t371 = t70 * frhob
t373 = t213 * cg24
t375 = 0.4D1 * t71 * t373
cg29 = cg51 + t361 * t68 + t363 * t68 - t367 + t369 * t66 + t371
# * t66 + t375
cg38 = t226 * cg24 / 0.3D1 - t228 * cg24 / 0.3D1
cg36 = cg3
cg80 = t235 * cg36 * t7
trhob = -t238 * t87 * cg38 / 0.2D1 - t85 * t243 * cg80 / 0.2D1 -
# t247 / 0.2D1
t385 = cg29 * t89
t387 = t255 * cg38
t390 = -t385 * t93 + 0.3D1 * t90 * t387
Arhob = -0.66725D-1 * t251 * t390 * t95
t394 = t113 * cg38
t397 = t109 * trhob
t400 = Arhob * t100
t402 = 0.2D1 * t272 * trhob
t403 = t400 + t402
t404 = t403 * t108
t411 = t400 + t402 + 0.2D1 * t282 * Arhob + 0.4D1 * t286 * trhob
t415 = 0.133450D0 * t267 * t397 + 0.66725D-1 * t101 * t404 - 0.6
#6725D-1 * t101 * t281 * t411
t416 = t415 * t294
cg28 = cg29 + 0.3D1 * t263 * t394 + t99 * t416
t419 = t132 ** 2
cg2 = dble(t114) / t419 * t75 / 0.3D1
cg69 = -0.3D1 / 0.4D1 * t7 * cg2
t425 = cg19 ** 2
t426 = 0.1D1 / t425
t427 = cg1 * t426
t430 = rhob ** 2
t431 = 0.1D1 / t430
cg8 = -t427 * t137 * cg2 / 0.2D1 - t136 * t431 / 0.2D1
t434 = t142 ** 2
t436 = 0.1D1 / t434 * mu
cg42 = 0.2000000001D1 * t436 * cg84 * cg8
t440 = rhob * cg69
exc_rhob = cg32 * cg20 + t440 * cg20 + t145 * cg42 + cg37 + rho
#* cg28
t445 = t84 * t86
cg86 = t445 * t2 / 0.2D1
t450 = t89 * t285
t451 = A * cg86
t459 = 0.2D1 * t272 * cg86 + 0.4D1 * t286 * cg86
t463 = 0.133450D0 * t267 * t109 * cg86 + 0.133450D0 * t450 * t45
#1 * t108 - 0.66725D-1 * t101 * t281 * t459
t464 = t463 * t294
cg48 = t99 * t464
exc_norm_drho = rho * cg48
cg4 = t119 * t121 / 0.2D1
cg5 = 0.2000000001D1 * t315 * cg58 * cg4
exc_norm_drhoa = t129 * cg5
cg74 = t135 * t137 / 0.2D1
cg39 = 0.2000000001D1 * t436 * cg84 * cg74
exc_norm_drhob = t145 * cg39
t474 = 0.1D1 / t149 / rho
t475 = t1 * t474
cg82 = -0.2D1 * t150 + 0.2D1 * t475
t480 = t149 ** 2
cg45 = -dble(t6) / t152 / t8 * t76 / t480 / 0.18D2 + dble(t6) *
#t154 * t474 / 0.6D1
t490 = rsrhoa * t161
t495 = t12 / t160 / t20
t496 = t172 ** 2
t500 = 0.1D1 / t16
t501 = rsrhoa ** 2
t502 = t500 * t501
t504 = t163 * cg45
t507 = t163 * t501
t509 = t13 * cg45
t512 = t169 * cg45
t518 = t160 ** 2
t520 = t12 / t518
t521 = t23 ** 2
t522 = 0.1D1 / t521
cg77 = -0.1328829340D-1 * cg45 * t24 + 0.4274000000D0 * t490 * t
#174 - 0.2000000000D1 * t495 * t496 * t173 + 0.9999999999D0 * t162
#* (-0.1898925000D1 * t502 + 0.3797850000D1 * t504 + 0.35876D1 * cg
#45 + 0.1228650000D1 * t507 + 0.2457300000D1 * t509 + 0.9858800D0 *
# t501 + 0.985880D0 * t512) * t173 + 0.1608182432D2 * t520 * t496 *
# t522
cg21 = cg6
t528 = rsrhoa * t180
t533 = t28 / t179 / t33
t534 = t186 ** 2
t549 = t179 ** 2
t551 = t28 / t549
t552 = t36 ** 2
t553 = 0.1D1 / t552
t559 = rsrhoa * t194
t564 = t41 / t193 / t46
t565 = t200 ** 2
t580 = t193 ** 2
t582 = t41 / t580
t583 = t49 ** 2
t584 = 0.1D1 / t583
cg14 = cg93
t588 = 0.1D1 / t77
t589 = cg10 ** 2
t594 = 0.1D1 / t78
cg63 = (0.4D1 / 0.9D1 * t588 * t589 + 0.4D1 / 0.3D1 * t57 * cg82
# + 0.4D1 / 0.9D1 * t594 * t589 - 0.4D1 / 0.3D1 * t60 * cg82) * dbl
#e(t55)
f1rhoa = frhoa
t612 = cg14 * f
t615 = cg62 * f1rhoa
t618 = t64 * t65
t633 = cg27 - cg21
t640 = t633 * f
t643 = t70 * f1rhoa
t652 = -0.4D1 * t63 * t214 * cg82 + (-0.638837320D-2 * cg45 * t3
#7 + 0.4109600000D0 * t528 * t188 - 0.2000000000D1 * t533 * t534 *
#t187 + 0.1000000000D1 * t181 * (-0.3529725000D1 * t502 + 0.7059450
#000D1 * t504 + 0.61977D1 * cg45 + 0.2524650000D1 * t507 + 0.504930
#0000D1 * t509 + 0.12503400D1 * t501 + 0.1250340D1 * t512) * t187 +
# 0.3216468318D2 * t551 * t534 * t553 - cg77) * f * t66 + t218 * f1
#rhoa * t66 + 0.4D1 * t219 * t223 + t633 * frhoa * t66 + t70 * cg63
# * t66 + 0.4D1 * t221 * t223 + 0.4D1 * t640 * t223 + 0.4D1 * t643
#* t223 + 0.12D2 * t71 * t65 * t589 + 0.4D1 * t71 * t213 * cg82
cg75 = cg77 + (0.375735750D-1 * cg45 * t50 - 0.2225000000D0 * t5
#59 * t202 + 0.2000000000D1 * t564 * t565 * t201 - 0.9999999999D0 *
# t195 * (-0.2589250000D1 * t502 + 0.5178500000D1 * t504 + 0.36231D
#1 * cg45 + 0.6601950000D0 * t507 + 0.1320390000D1 * t509 + 0.99342
#00D0 * t501 + 0.993420D0 * t512) * t201 - 0.2960857464D1 * t582 *
#t565 * t584) * f * t68 + cg93 * f1rhoa * t68 - 0.4D1 * t209 * t215
# + cg14 * frhoa * t68 + cg62 * cg63 * t68 - 0.4D1 * t211 * t215 -
#0.4D1 * t612 * t215 - 0.4D1 * t615 * t215 - 0.12D2 * t63 * t618 *
#t589 + t652
cg76 = cg21 + t612 * t68 + t615 * t68 - t217 + t640 * t66 + t643
# * t66 + t225
t657 = 0.1D1 / t58
t662 = 0.1D1 / t61
cg30 = -t657 * t589 / 0.9D1 + t226 * cg82 / 0.3D1 - t662 * t589
#/ 0.9D1 - t228 * cg82 / 0.3D1
cg60 = cg18
t670 = t75 ** 2
cg87 = -0.2D1 / 0.9D1 * dble(t3) / t231 / t80 * t670
t674 = 0.1D1 / t83 / t82
t675 = cg3 ** 2
cg34 = cg55
t682 = cg * t93 * t86
t683 = t2 * cg18
t686 = t238 * t242
t692 = t238 * t246 * cg18 / 0.2D1
t696 = t2 * cg55
t702 = t85 / t241 / cg53
t705 = t242 * t150
t708 = t85 * t705 * cg55 / 0.2D1
t719 = t85 * t86 * t474
cg49 = t682 * t683 * cg60 + t686 * t683 * cg34 / 0.2D1 + t692 -
#t238 * t87 * cg30 / 0.2D1 + t686 * t696 * cg60 / 0.2D1 + t702 * t6
#96 * cg34 + t708 - t85 * t243 * (-t674 * t675 * t76 / 0.2D1 + t235
# * cg87 * t7) / 0.2D1 + t238 * t246 * cg60 / 0.2D1 + t85 * t705 *
#cg34 / 0.2D1 + t719
t1rhoa = -t238 * t87 * cg60 / 0.2D1 - t85 * t243 * cg34 / 0.2D1
#- t247 / 0.2D1
t727 = t89 / t249 / t96
t728 = t95 ** 2
t729 = t259 * t728
t730 = cg76 * t89
t732 = t255 * cg60
t735 = -t730 * t93 + 0.3D1 * t90 * t732
t746 = 0.1D1 / t254 / phi
t747 = t746 * cg18
cg67 = 0.133450D0 * t727 * t729 * t735 - 0.66725D-1 * t251 * (-c
#g75 * t89 * t93 + 0.3D1 * t252 * t732 + 0.3D1 * t730 * t256 - 0.12
#D2 * t90 * t747 * cg60 + 0.3D1 * t90 * t255 * cg30) * t95 - 0.6672
#5D-1 * t251 * t259 * t735 * t95
A1rhoa = -0.66725D-1 * t251 * t735 * t95
t765 = cg35 * phi
t772 = A1rhoa * t100
t774 = 0.2D1 * t272 * t1rhoa
t775 = t772 + t774
t776 = t775 * t108
t783 = t772 + t774 + 0.2D1 * t282 * A1rhoa + 0.4D1 * t286 * t1rh
#oa
t787 = 0.133450D0 * t267 * t109 * t1rhoa + 0.66725D-1 * t101 * t
#776 - 0.66725D-1 * t101 * t281 * t783
t788 = t787 * t294
t804 = t267 * t103
t805 = t280 * trhoa
t815 = cg67 * t100
t816 = Arhoa * t
t818 = 0.2D1 * t816 * t1rhoa
t821 = 0.2D1 * A1rhoa * t * trhoa
t824 = 0.2D1 * A * t1rhoa * trhoa
t826 = 0.2D1 * t272 * cg49
t831 = t275 * t280
t835 = t280 * t289
t843 = t101 * t103
t845 = 0.1D1 / t279 / t107
t846 = t845 * t289
t853 = A * t285
t862 = t104 * t100
t868 = t815 + t818 + t821 + t824 + t826 + 0.2D1 * A1rhoa * t105
#* Arhoa + 0.8D1 * t853 * Arhoa * t1rhoa + 0.2D1 * t282 * cg67 + 0.
#8D1 * t853 * trhoa * A1rhoa + 0.12D2 * t862 * trhoa * t1rhoa + 0.4
#D1 * t286 * cg49
t872 = 0.133450D0 * t89 * t1rhoa * t268 + 0.133450D0 * t267 * t7
#76 * trhoa - 0.133450D0 * t804 * t805 * t783 + 0.133450D0 * t267 *
# t109 * cg49 + 0.133450D0 * t267 * t276 * t1rhoa + 0.66725D-1 * t1
#01 * (t815 + t818 + t821 + t824 + t826) * t108 - 0.66725D-1 * t101
# * t831 * t783 - 0.133450D0 * t804 * t835 * t1rhoa - 0.66725D-1 *
#t101 * t775 * t280 * t289 + 0.133450D0 * t843 * t846 * t783 - 0.66
#725D-1 * t101 * t281 * t868
t875 = t112 ** 2
t876 = 0.1D1 / t875
t877 = t293 * t876
cg47 = -0.2D1 / 0.9D1 * dble(t114) / t298 / t115 * t670
cg26 = cg78
t895 = cg7 ** 2
cg52 = cg44
t908 = mu ** 2
t909 = 0.1D1 / t313 / t126 * t908
t910 = t123 * cg44
cg65 = 0.2000000001D1 * t315 * cg58 * cg52
exc_rhoa_rhoa = cg26 * cg25 + cg81 * cg65 + cg78 * cg25 - 0.3D1
#/ 0.4D1 * rhoa * t7 * cg47 * cg25 + t319 * cg65 + cg81 * cg72 + rh
#oa * cg26 * cg72 + t129 * (-0.9950248765D1 * t909 * t910 * cg52 +
#0.2000000001D1 * t315 * cg52 * cg44 + 0.2000000001D1 * t315 * cg58
# * (cg0 / t304 / cg54 * t121 * t895 + t306 * t310 * cg7 - t306 * t
#121 * cg47 / 0.2D1 + t120 / t309 / rhoa)) + cg76 + 0.3D1 * t263 *
#t113 * cg60 + t99 * t788 + cg40 + rho * (cg75 + 0.6D1 * t765 * t26
#4 * cg60 + 0.3D1 * t263 * t788 * cg18 + 0.3D1 * t263 * t113 * cg30
# + 0.3D1 * t263 * t295 * cg60 + t99 * t872 * t294 - t99 * t877 * t
#787)
cg23 = 0.2D1 * t475
cg56 = cg45
t938 = rsrhob * t161
t945 = t500 * rsrhoa * rsrhob
t947 = t163 * cg56
t950 = t164 * rsrhob
t952 = t13 * cg56
t954 = rsrhoa * rsrhob
t956 = t169 * cg56
cg73 = -0.1328829340D-1 * cg56 * t24 + 0.2137000000D0 * t490 * t
#334 + 0.2137000000D0 * t938 * t174 - 0.2000000000D1 * t495 * t174
#* t333 + 0.9999999999D0 * t162 * (-0.1898925000D1 * t945 + 0.37978
#50000D1 * t947 + 0.35876D1 * cg56 + 0.1228650000D1 * t950 + 0.2457
#300000D1 * t952 + 0.9858800D0 * t954 + 0.985880D0 * t956) * t173 +
# 0.1608182432D2 * t520 * t172 * t522 * t333
t970 = rsrhob * t180
t995 = rsrhob * t194
cg22 = (0.4D1 / 0.9D1 * t588 * cg10 * cg24 + 0.4D1 / 0.3D1 * t57
# * cg23 + 0.4D1 / 0.9D1 * t594 * cg10 * cg24 - 0.4D1 / 0.3D1 * t60
# * cg23) * dble(t55)
t1045 = t65 * cg10 * cg24
t1074 = -0.4D1 * t63 * t214 * cg23 + (-0.638837320D-2 * cg56 * t
#37 + 0.2054800000D0 * t528 * t344 + 0.2054800000D0 * t970 * t188 -
# 0.2000000000D1 * t533 * t188 * t343 + 0.1000000000D1 * t181 * (-0
#.3529725000D1 * t945 + 0.7059450000D1 * t947 + 0.61977D1 * cg56 +
#0.2524650000D1 * t950 + 0.5049300000D1 * t952 + 0.12503400D1 * t95
#4 + 0.1250340D1 * t956) * t187 + 0.3216468318D2 * t551 * t186 * t5
#53 * t343 - cg73) * f * t66 + t218 * frhob * t66 + 0.4D1 * t219 *
#t373 + t368 * frhoa * t66 + t70 * cg22 * t66 + 0.4D1 * t221 * t373
# + 0.4D1 * t369 * t223 + 0.4D1 * t371 * t223 + 0.12D2 * t71 * t104
#5 + 0.4D1 * t71 * t213 * cg23
cg11 = cg73 + (0.375735750D-1 * cg56 * t50 - 0.1112500000D0 * t5
#59 * t354 - 0.1112500000D0 * t995 * t202 + 0.2000000000D1 * t564 *
# t202 * t353 - 0.9999999999D0 * t195 * (-0.2589250000D1 * t945 + 0
#.5178500000D1 * t947 + 0.36231D1 * cg56 + 0.6601950000D0 * t950 +
#0.1320390000D1 * t952 + 0.9934200D0 * t954 + 0.993420D0 * t956) *
#t201 - 0.2960857464D1 * t582 * t200 * t584 * t353) * f * t68 + cg9
#3 * frhob * t68 - 0.4D1 * t209 * t365 + cg50 * frhoa * t68 + cg62
#* cg22 * t68 - 0.4D1 * t211 * t365 - 0.4D1 * t361 * t215 - 0.4D1 *
# t363 * t215 - 0.12D2 * t63 * t64 * t1045 + t1074
cg68 = -t657 * cg10 * cg24 / 0.9D1 + t226 * cg23 / 0.3D1 - t662
#* cg10 * cg24 / 0.9D1 - t228 * cg23 / 0.3D1
cg15 = cg87
t1109 = t238 * t246 * cg38 / 0.2D1
t1112 = t85 * t705 * cg80 / 0.2D1
cg61 = t682 * t683 * cg38 + t686 * t683 * cg80 / 0.2D1 + t692 -
#t238 * t87 * cg68 / 0.2D1 + t686 * t696 * cg38 / 0.2D1 + t702 * t6
#96 * cg80 + t708 - t85 * t243 * (-t674 * cg3 * t76 * cg36 / 0.2D1
#+ t235 * cg15 * t7) / 0.2D1 + t1109 + t1112 + t719
cg33 = 0.133450D0 * t727 * t729 * t390 - 0.66725D-1 * t251 * (-c
#g11 * t89 * t93 + 0.3D1 * t252 * t387 + 0.3D1 * t385 * t256 - 0.12
#D2 * t90 * t747 * cg38 + 0.3D1 * t90 * t255 * cg68) * t95 - 0.6672
#5D-1 * t251 * t259 * t390 * t95
t1163 = cg33 * t100
t1165 = 0.2D1 * t816 * trhob
t1166 = Arhob * t
t1168 = 0.2D1 * t1166 * trhoa
t1171 = 0.2D1 * A * trhob * trhoa
t1173 = 0.2D1 * t272 * cg61
t1184 = t403 * t280
t1207 = t1163 + t1165 + t1168 + t1171 + t1173 + 0.2D1 * Arhob *
#t105 * Arhoa + 0.8D1 * t853 * Arhoa * trhob + 0.2D1 * t282 * cg33
#+ 0.8D1 * t853 * trhoa * Arhob + 0.12D2 * t862 * trhoa * trhob + 0
#.4D1 * t286 * cg61
t1211 = 0.133450D0 * t89 * trhob * t268 + 0.133450D0 * t267 * t4
#04 * trhoa - 0.133450D0 * t804 * t805 * t411 + 0.133450D0 * t267 *
# t109 * cg61 + 0.133450D0 * t267 * t276 * trhob + 0.66725D-1 * t10
#1 * (t1163 + t1165 + t1168 + t1171 + t1173) * t108 - 0.66725D-1 *
#t101 * t831 * t411 - 0.133450D0 * t804 * t835 * trhob - 0.66725D-1
# * t101 * t1184 * t289 + 0.133450D0 * t843 * t846 * t411 - 0.66725
#D-1 * t101 * t281 * t1207
exc_rhoa_rhob = cg28 + cg40 + rho * (cg11 + 0.6D1 * t765 * t264
#* cg38 + 0.3D1 * t263 * t416 * cg18 + 0.3D1 * t263 * t113 * cg68 +
# 0.3D1 * t263 * t295 * cg38 + t99 * t1211 * t294 - t99 * t877 * t4
#15)
cg16 = 0.2D1 * t150 + 0.2D1 * t475
cg57 = cg56
t1222 = t333 ** 2
t1226 = rsrhob ** 2
t1227 = t500 * t1226
t1229 = t163 * cg57
t1232 = t163 * t1226
t1234 = t13 * cg57
t1237 = t169 * cg57
cg66 = -0.1328829340D-1 * cg57 * t24 + 0.4274000000D0 * t938 * t
#334 - 0.2000000000D1 * t495 * t1222 * t173 + 0.9999999999D0 * t162
# * (-0.1898925000D1 * t1227 + 0.3797850000D1 * t1229 + 0.35876D1 *
# cg57 + 0.1228650000D1 * t1232 + 0.2457300000D1 * t1234 + 0.985880
#0D0 * t1226 + 0.985880D0 * t1237) * t173 + 0.1608182432D2 * t520 *
# t1222 * t522
cg12 = cg51
t1250 = t343 ** 2
t1272 = t353 ** 2
cg85 = cg50
t1290 = cg24 ** 2
cg70 = (0.4D1 / 0.9D1 * t588 * t1290 + 0.4D1 / 0.3D1 * t57 * cg1
#6 + 0.4D1 / 0.9D1 * t594 * t1290 - 0.4D1 / 0.3D1 * t60 * cg16) * d
#ble(t55)
f1rhob = frhob
t1312 = cg85 * f
t1315 = cg62 * f1rhob
t1332 = cg83 - cg12
t1339 = t1332 * f
t1342 = t70 * f1rhob
t1351 = -0.4D1 * t63 * t214 * cg16 + (-0.638837320D-2 * cg57 * t
#37 + 0.4109600000D0 * t970 * t344 - 0.2000000000D1 * t533 * t1250
#* t187 + 0.1000000000D1 * t181 * (-0.3529725000D1 * t1227 + 0.7059
#450000D1 * t1229 + 0.61977D1 * cg57 + 0.2524650000D1 * t1232 + 0.5
#049300000D1 * t1234 + 0.12503400D1 * t1226 + 0.1250340D1 * t1237)
#* t187 + 0.3216468318D2 * t551 * t1250 * t553 - cg66) * f * t66 +
#t368 * f1rhob * t66 + 0.4D1 * t369 * t373 + t1332 * frhob * t66 +
#t70 * cg70 * t66 + 0.4D1 * t371 * t373 + 0.4D1 * t1339 * t373 + 0.
#4D1 * t1342 * t373 + 0.12D2 * t71 * t65 * t1290 + 0.4D1 * t71 * t2
#13 * cg16
cg79 = cg66 + (0.375735750D-1 * cg57 * t50 - 0.2225000000D0 * t9
#95 * t354 + 0.2000000000D1 * t564 * t1272 * t201 - 0.9999999999D0
#* t195 * (-0.2589250000D1 * t1227 + 0.5178500000D1 * t1229 + 0.362
#31D1 * cg57 + 0.6601950000D0 * t1232 + 0.1320390000D1 * t1234 + 0.
#9934200D0 * t1226 + 0.993420D0 * t1237) * t201 - 0.2960857464D1 *
#t582 * t1272 * t584) * f * t68 + cg50 * f1rhob * t68 - 0.4D1 * t36
#1 * t365 + cg85 * frhob * t68 + cg62 * cg70 * t68 - 0.4D1 * t363 *
# t365 - 0.4D1 * t1312 * t365 - 0.4D1 * t1315 * t365 - 0.12D2 * t63
# * t618 * t1290 + t1351
cg13 = cg12 + t1312 * t68 + t1315 * t68 - t367 + t1339 * t66 + t
#1342 * t66 + t375
cg71 = -t657 * t1290 / 0.9D1 + t226 * cg16 / 0.3D1 - t662 * t129
#0 / 0.9D1 - t228 * cg16 / 0.3D1
cg17 = cg38
t1364 = cg36 ** 2
cg43 = cg80
t1370 = t2 * cg38
t1379 = t2 * cg80
cg31 = t682 * t1370 * cg17 + t686 * t1370 * cg43 / 0.2D1 + t1109
# - t238 * t87 * cg71 / 0.2D1 + t686 * t1379 * cg17 / 0.2D1 + t702
#* t1379 * cg43 + t1112 - t85 * t243 * (-t674 * t1364 * t76 / 0.2D1
# + t235 * cg15 * t7) / 0.2D1 + t238 * t246 * cg17 / 0.2D1 + t85 *
#t705 * cg43 / 0.2D1 + t719
t1rhob = -t238 * t87 * cg17 / 0.2D1 - t85 * t243 * cg43 / 0.2D1
#- t247 / 0.2D1
t1400 = cg13 * t89
t1402 = t255 * cg17
t1405 = -t1400 * t93 + 0.3D1 * t90 * t1402
cg41 = 0.133450D0 * t727 * t390 * t728 * t1405 - 0.66725D-1 * t2
#51 * (-cg79 * t89 * t93 + 0.3D1 * t385 * t1402 + 0.3D1 * t1400 * t
#387 - 0.12D2 * t90 * t746 * cg38 * cg17 + 0.3D1 * t90 * t255 * cg7
#1) * t95 - 0.66725D-1 * t251 * t390 * t1405 * t95
A1rhob = -0.66725D-1 * t251 * t1405 * t95
t1439 = A1rhob * t100
t1441 = 0.2D1 * t272 * t1rhob
t1442 = t1439 + t1441
t1443 = t1442 * t108
t1450 = t1439 + t1441 + 0.2D1 * t282 * A1rhob + 0.4D1 * t286 * t
#1rhob
t1454 = 0.133450D0 * t267 * t109 * t1rhob + 0.66725D-1 * t101 *
#t1443 - 0.66725D-1 * t101 * t281 * t1450
t1455 = t1454 * t294
t1471 = t280 * trhob
t1481 = cg41 * t100
t1483 = 0.2D1 * t1166 * t1rhob
t1486 = 0.2D1 * A1rhob * t * trhob
t1489 = 0.2D1 * A * t1rhob * trhob
t1491 = 0.2D1 * t272 * cg31
t1499 = t280 * t411
t1507 = t845 * t411
t1527 = t1481 + t1483 + t1486 + t1489 + t1491 + 0.2D1 * A1rhob *
# t105 * Arhob + 0.8D1 * t853 * Arhob * t1rhob + 0.2D1 * t282 * cg4
#1 + 0.8D1 * t853 * trhob * A1rhob + 0.12D2 * t862 * trhob * t1rhob
# + 0.4D1 * t286 * cg31
t1531 = 0.133450D0 * t89 * t1rhob * t397 + 0.133450D0 * t267 * t
#1443 * trhob - 0.133450D0 * t804 * t1471 * t1450 + 0.133450D0 * t2
#67 * t109 * cg31 + 0.133450D0 * t267 * t404 * t1rhob + 0.66725D-1
#* t101 * (t1481 + t1483 + t1486 + t1489 + t1491) * t108 - 0.66725D
#-1 * t101 * t1184 * t1450 - 0.133450D0 * t804 * t1499 * t1rhob - 0
#.66725D-1 * t101 * t1442 * t280 * t411 + 0.133450D0 * t843 * t1507
# * t1450 - 0.66725D-1 * t101 * t281 * t1527
t1534 = t415 * t876
cg89 = -0.2D1 / 0.9D1 * dble(t114) / t419 / t131 * t670
cg90 = cg69
t1552 = cg2 ** 2
cg88 = cg8
t1565 = 0.1D1 / t434 / t142 * t908
t1566 = t139 * cg8
cg92 = 0.2000000001D1 * t436 * cg84 * cg88
exc_rhob_rhob = cg90 * cg20 + cg32 * cg92 + cg69 * cg20 - 0.3D1
#/ 0.4D1 * rhob * t7 * cg89 * cg20 + t440 * cg92 + cg32 * cg42 + rh
#ob * cg90 * cg42 + t145 * (-0.9950248765D1 * t1565 * t1566 * cg88
#+ 0.2000000001D1 * t436 * cg88 * cg8 + 0.2000000001D1 * t436 * cg8
#4 * (cg1 / t425 / cg19 * t137 * t1552 + t427 * t431 * cg2 - t427 *
# t137 * cg89 / 0.2D1 + t136 / t430 / rhob)) + cg13 + 0.3D1 * t263
#* t113 * cg17 + t99 * t1455 + cg28 + rho * (cg79 + 0.6D1 * t765 *
#t394 * cg17 + 0.3D1 * t263 * t1455 * cg38 + 0.3D1 * t263 * t113 *
#cg71 + 0.3D1 * t263 * t416 * cg17 + t99 * t1531 * t294 - t99 * t15
#34 * t1454)
t1590 = t237 * t86
t1592 = t84 * t242
t1594 = t445 * t150
cg91 = -t1590 * t683 / 0.2D1 - t1592 * t696 / 0.2D1 - t1594 / 0.
#2D1
t1599 = t89 * cg86
t1602 = t101 * A
t1603 = cg86 * t108
t1616 = t816 * cg86
t1617 = t451 * trhoa
t1618 = t272 * cg91
t1627 = t835 * cg86
t1630 = t450 * A
t1651 = 0.133450D0 * t1599 * t268 + 0.266900D0 * t1602 * t1603 *
# trhoa - 0.133450D0 * t804 * t805 * t459 + 0.133450D0 * t267 * t10
#9 * cg91 + 0.133450D0 * t267 * t276 * cg86 + 0.66725D-1 * t101 * (
#0.2D1 * t1616 + 0.2D1 * t1617 + 0.2D1 * t1618) * t108 - 0.66725D-1
# * t101 * t831 * t459 - 0.133450D0 * t804 * t1627 - 0.133450D0 * t
#1630 * t1627 + 0.133450D0 * t843 * t846 * t459 - 0.66725D-1 * t101
# * t281 * (0.2D1 * t1616 + 0.2D1 * t1617 + 0.2D1 * t1618 + 0.8D1 *
# t853 * Arhoa * cg86 + 0.12D2 * t862 * trhoa * cg86 + 0.4D1 * t286
# * cg91)
exc_rhoa_norm_drho = cg48 + rho * (0.3D1 * t263 * t464 * cg18 +
#t99 * t1651 * t294 - t99 * t877 * t463)
cg64 = -t1590 * t1370 / 0.2D1 - t1592 * t1379 / 0.2D1 - t1594 /
#0.2D1
t1677 = t1166 * cg86
t1678 = t451 * trhob
t1679 = t272 * cg64
t1688 = t1499 * cg86
t1711 = 0.133450D0 * t1599 * t397 + 0.266900D0 * t1602 * t1603 *
# trhob - 0.133450D0 * t804 * t1471 * t459 + 0.133450D0 * t267 * t1
#09 * cg64 + 0.133450D0 * t267 * t404 * cg86 + 0.66725D-1 * t101 *
#(0.2D1 * t1677 + 0.2D1 * t1678 + 0.2D1 * t1679) * t108 - 0.66725D-
#1 * t101 * t1184 * t459 - 0.133450D0 * t804 * t1688 - 0.133450D0 *
# t1630 * t1688 + 0.133450D0 * t843 * t1507 * t459 - 0.66725D-1 * t
#101 * t281 * (0.2D1 * t1677 + 0.2D1 * t1678 + 0.2D1 * t1679 + 0.8D
#1 * t853 * Arhob * cg86 + 0.12D2 * t862 * trhob * cg86 + 0.4D1 * t
#286 * cg64)
exc_rhob_norm_drho = cg48 + rho * (0.3D1 * t263 * t464 * cg38 +
#t99 * t1711 * t294 - t99 * t1534 * t463)
t1717 = cg86 ** 2
t1721 = A * t1717
t1726 = t280 * cg86 * t459
t1732 = t459 ** 2
t1746 = t463 ** 2
exc_norm_drho_norm_drho = rho * (t99 * (0.133450D0 * t89 * t1717
# * t109 + 0.667250D0 * t101 * t1721 * t108 - 0.266900D0 * t804 * t
#1726 - 0.266900D0 * t1630 * t1726 + 0.133450D0 * t101 * t103 * t84
#5 * t1732 - 0.66725D-1 * t101 * t281 * (0.2D1 * t1721 + 0.12D2 * t
#862 * t1717)) * t294 - t99 * t1746 * t876)
exc_rhoa_norm_drhoa = cg81 * cg5 + t319 * cg5 + t129 * (-0.99502
#48765D1 * t909 * t910 * cg4 + 0.2000000001D1 * t315 * cg4 * cg44 +
# 0.2000000001D1 * t315 * cg58 * (-t305 * t121 * cg7 / 0.2D1 - t119
# * t310 / 0.2D1))
t1766 = cg4 ** 2
exc_norm_drhoa_norm_drhoa = t129 * (-0.9950248765D1 * t909 * t12
#3 * t1766 + 0.2000000001D1 * t315 * t1766)
exc_rhob_norm_drhob = cg32 * cg39 + t440 * cg39 + t145 * (-0.995
#0248765D1 * t1565 * t1566 * cg74 + 0.2000000001D1 * t436 * cg74 *
#cg8 + 0.2000000001D1 * t436 * cg84 * (-t426 * t137 * cg2 / 0.2D1 -
# t135 * t431 / 0.2D1))
t1790 = cg74 ** 2
exc_norm_drhob_norm_drhob = t145 * (-0.9950248765D1 * t1565 * t1
#39 * t1790 + 0.2000000001D1 * t436 * t1790)
cg94 = exc_norm_drhob_norm_drhob
return
end"""
def maple2f90(code, replacements={}):
c1 = code.replace("\n #", "")
floatRe = re.compile(r"([0-9]+\.?[0-9]*|\.[0-9]+)[dD]([-+]?[0-9]+)")
c1 = floatRe.sub(r"\1e\2_dp", c1)
varNameRe = re.compile(r"([a-zA-Z][a-zA-Z0-9_]*)")
c2 = varNameRe.split(c1)
for i in range(len(c2)):
if c2[i] in replacements.keys():
c2[i] = replacements[c2[i]]
c1 = "".join(c2)
vars = re.findall(r" *([a-zA-Z][a-zA-Z0-9_]*) *=", c1)
lc1 = ["real(kind=dp) :: " + ", ".join(vars) + "\n", "\n"] + c1.splitlines()
splittableRe = re.compile(r"([ /=()])")
for i in range(len(lc1)):
if len(lc1[i]) > 80:
pieces = splittableRe.split(lc1[i])
ll = 0
newL = []
for p in pieces:
if ll < 10 or ll + len(p) < 75:
newL.append(p)
ll += len(p)
else:
newL.append("&\n ")
newL.append(p)
ll = len(p) + 6
lc1[i] = "".join(newL)
c1 = "\n".join(lc1) + "\n"
return c1
# ===============================================================================
if __name__ == "__main__":
replacements = {}
for i in range(len(renamedVar)):
replacements[renamedVar[i]] = origNames[i]
output = maple2f90(code, replacements)
# print output unless we are selftesting
print(output)
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